SCHEMBL5221909

SCHEMBL5221909

CC(C)(C)OC(=O)N[C@@H](CCN1CC(Sc2ccc(Cl)cc2)C1)C(O[SiH2]C(C)(C)C)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
DRD2 P14416 5/20 0.34
KCNA3 P22001 1/20 0.34
TRPA1 O75762 1/20 0.33
CCR5 P51681 1/20 0.33
CACNA1B Q00975 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
SCN9A Q15858 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5223510 0.85 CCR5 (0.33) MMP13PPARGPPARADRD2KCNA3
SCHEMBL5336161 0.78 HRH2 (0.39) KCNA3SMN1; SMN2SCN9A
SCHEMBL5220056 0.77 CTSK (0.40) PPARGPPARA
SCHEMBL5219319 0.76 DRD2 (0.40) PPARGPPARADRD2TRPA1CACNA1B
SCHEMBL5221721 0.76 AKT1 (0.40) PPARGPPARA
SCHEMBL5221902 0.73 PPARG (0.36) MMP13PPARGPPARADRD2TRPA1
SCHEMBL5764798 0.63 DRD2 (0.44) DRD2TRPA1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5335904 0.63 DRD2 (0.41) PPARGPPARADRD2TRPA1CACNA1B
SCHEMBL6685625 0.63 DRD2 (0.41) PPARGPPARADRD2TRPA1CACNA1B
SCHEMBL5336521 0.61 DRD2 (0.40) PPARGPPARADRD2CACNA1BALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663966-B1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2007-06-20 EP disclosed
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases LE GRAND DARREN M 2007-02-22 US disclosed
EP-1663966-A1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES Novartis AG (CH) 2006-06-07 EP disclosed
WO-2005026113-A1 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2005-03-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases CCR1, CCR3, CCR9 MMP13 905/4885PPARG 1224/4885PPARA 1997/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.